CID 3001428

186044-59-7

Structural Information

Molecular Formula

C₁₀H₁₄N₂S₂

SMILES

CC(C)CSC1=CC(=NC=C1)C(=S)N

InChI

InChI=1S/C10H14N2S2/c1-7(2)6-14-8-3-4-12-9(5-8)10(11)13/h3-5,7H,6H2,1-2H3,(H2,11,13)

InChIKey

RNLSMNZQGLHZCB-UHFFFAOYSA-N

Compound name

4-(2-methylpropylsulfanyl)pyridine-2-carbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 226.05984 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	227.06712	146.3
[M+Na]+	249.04906	153.2
[M-H]-	225.05256	147.7
[M+NH4]+	244.09366	163.3
[M+K]+	265.02300	148.0
[M+H-H2O]+	209.05710	139.5
[M+HCOO]-	271.05804	156.3
[M+CH3COO]-	285.07369	191.6
[M+Na-2H]-	247.03451	145.1
[M]+	226.05929	146.5
[M]-	226.06039	146.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.